SCHEMBL1562717

SCHEMBL1562717

CCCC(=O)N1CCC(N)CC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 9/20 0.72
GNAI1 P63096 9/20 0.72
GNAO1 P09471 8/20 0.72
NPC1 O15118 1/20 0.50
CACNA1B Q00975 2/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
CHRNB3 Q05901 1/20 0.47
CHRNA6 Q15825 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
EPHX1 P07099 2/20 0.46
EPHX2 P34913 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9224930 0.89 GNAI3 (0.84) GNAI3GNAI1GNAO1NPC1CACNA1B
SCHEMBL14275539 0.89 GNAI3 (0.58) GNAI3GNAI1GNAO1NPC1CACNA1B
SCHEMBL13459961 0.89 GNAI3 (0.58) GNAI3GNAI1GNAO1NPC1CACNA1B
SCHEMBL13059514 0.86 GNAI3 (0.54) GNAI3GNAI1GNAO1NPC1CHRNB2
SCHEMBL8218003 0.84 GNAI3 (0.54) GNAI3GNAI1GNAO1NPC1CACNA1B
SCHEMBL11717 0.83 GNAI3 (0.61) GNAI3GNAI1GNAO1NPC1CACNA1B
SCHEMBL10035 0.82 NPC1 (0.52) GNAI3GNAI1GNAO1NPC1CHRNB2
SCHEMBL21766766 0.82 NPC1 (0.52) GNAI3GNAI1GNAO1NPC1CHRNB2
SCHEMBL7875482 0.82 GNAI3 (0.59) GNAI3GNAI1GNAO1NPC1CACNA1B
SCHEMBL10274470 0.82 NPC1 (0.74) GNAI3GNAI1GNAO1NPC1CHRNB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628968-B1 4-IMIDAZOLIN-2-ONE COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2011-04-06 EP claimed
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 US disclosed
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 US disclosed
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 US disclosed
US-20230038589-A1 Methods and compositions for targeting Tregs using CCR8 inhibitors Nanjing Immunophage Biotech Co., Ltd. (CN) 2023-02-09 US disclosed
WO-2022000443-A1 METHODS AND COMPOSITIONS FOR TARGETING TREGS USING CCR8 INHIBITORS Nanjing Immunophage Biotech Co., Ltd. (CN) 2022-01-06 WO disclosed
EP-3151817-B1 SULFUR(VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF SCRIPPS RESEARCH INST (US) 2021-03-03 EP disclosed
EP-3129023-B1 POTENT SOLUBLE EPOXIDE HYDROLASE INHIBITORS EICOSIS LLC (US) 2021-02-24 EP disclosed
EP-2758398-B1 SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL]-2-AZABICYCLO [2.2.1]HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
EP-2528895-B1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE MEDICINES CO LEIPZIG GMBH (DE) 2016-03-30 EP disclosed
US-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090088422-A1 4-IMIDAZOLIN-2-ONE COMPOUNDS KUBO AKIRA 2009-04-02 US disclosed
US-7491827-B2 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-02-17 US disclosed
US-7473695-B2 4-imidazolin-2-one compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-06 US disclosed
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
US-7378525-B2 CCR8 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-05-27 US disclosed
US-7332509-B2 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED (US) 2008-02-19 US disclosed
WO-2007106525-A1 PIPERIDINYL, INDOLYL, PIRINIDYL, MORPHOLINYL AND BENZIMIDAZOLYL UREA DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE FOR THE TREATMENT OF HYPERTENSION, INFLAMMATIONS AND OTHER DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-20 WO disclosed
US-20050085518-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. 2005-04-21 US disclosed
US-20040209948-A1 CCR8 Inhibitors MILLENNIUM PHARMACEUTICALS, INC. 2004-10-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors CCR8, CCR1, CCR3 GNAI3 186/4885GNAI1 127/4885GNAO1 592/4885
US-20050085518-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity CCR8, CCR1, CCR3 GNAI3 476/4885GNAI1 401/4885GNAO1 1060/4885
US-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity CCR8, CCR1, CCR3 GNAI3 492/4885GNAI1 360/4885GNAO1 1001/4885
US-20040209948-A1 CCR8 Inhibitors CCR8, CCR1, CCR3 GNAI3 242/4885GNAI1 131/4885GNAO1 567/4885
US-20230038589-A1 Methods and compositions for targeting Tregs using CCR8 inhibitors CCR8, CCR1, CCR3 GNAI3 186/4885GNAI1 127/4885GNAO1 592/4885
US-20090088422-A1 4-IMIDAZOLIN-2-ONE COMPOUNDS OR10J3, NR4A3, NR3C2 GNAI3 233/4885GNAI1 656/4885GNAO1 954/4885
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS GNAI3 209/4885GNAI1 225/4885GNAO1 1080/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.